| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57.3 | Low | 64 | Low | 223 Ų | 223 | 130 Ų | 130 | 100% | 1.099 | 65% | 0.653 | S | S | * | * | 0 | -10 | 0 | -68.3 | 167.7 | 69 | 0 | 0 | 114.2 | |||||
| 2 | I | 59.7 | Low | 64.3 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | trans | -86.3 | -35.3 | 178.4 | -66.8 | 161.9 | 0 | 0 | 0 | 112.8 | L4 A5 | I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.41Å; I2-A5 PolarHBondContact O-N 3.08Å | ||
| 3 | F | 57.1 | Low | 64.1 | Low | 179 Ų | 179 | 129.1 Ų | 129.1 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.8 | -24.2 | -177.4 | -79.2 | -86.8 | 0 | 0 | 0 | 115.5 | T6 | F3-T6 PolarHBondContact O-OG1 3.26Å; F3-T6 VanDerWaalsContact O-OG1 3.11Å |
| 4 | L | 60.1 | Low | 63.9 | Low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.7 | -24.2 | 178.4 | -89.3 | 144 | 0 | 0 | 0 | 112.7 | I2 P8 | I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.41Å; L4-P8 VanDerWaalsContact O-CD 3.29Å; L4-P8 WeakPolarHBondContact O-CD 3.43Å |
| 5 | A | 60.5 | Low | 63.5 | Low | 58 Ų | 58 | 121.8 Ų | 121.8 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -86.5 | -19.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I2 P8 | I2-A5 PolarHBondContact O-N 3.08Å; A5-P8 WeakPolarHBondContact O-CD 3.25Å; A5-P8 WeakPolarHBondContact O-CG 3.18Å |
| 6 | T | 66.4 | Low | 63 | Low | 69 Ų | 69 | 119.5 Ų | 119.5 | 42% | 0.423 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -82.7 | -28.1 | -179.9 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | F3 L9 F10 | F3-T6 PolarHBondContact O-OG1 3.26Å; F3-T6 VanDerWaalsContact O-OG1 3.11Å; T6-L9 PolarHBondContact O-N 2.94Å; T6-F10 WeakPolarHBondContact O-CB 3.46Å; T6-F10 PolarHBondContact O-N 2.67Å |
| 7 | L | 69.6 | Low | 62.6 | Low | 112 Ų | 112 | 117.8 Ų | 117.8 | 59% | 0.586 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -57.5 | -49.4 | 175.7 | -78.4 | 158.2 | 0 | 0 | 0 | 114.1 | F10 W11 | L7-F10 PolarHBondContact O-N 3.47Å; L7-W11 PolarHBondContact O-N 3.38Å |
| 8 | P | 71.3 | Confident | 62.5 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.3 | -35.7 | 177.6 | 24.5 | -33.1 | 0 | 0 | 0 | 112.3 | L4 A5 W11 I12 | L4-P8 VanDerWaalsContact O-CD 3.29Å; L4-P8 WeakPolarHBondContact O-CD 3.43Å; A5-P8 WeakPolarHBondContact O-CD 3.25Å; A5-P8 WeakPolarHBondContact O-CG 3.18Å; P8-W11 PolarHBondContact O-N 3.38Å; P8-I12 WeakPolarHBondContact O-CD1 3.44Å; P8-I12 VanDerWaalsContact O-CG1 3.23Å; P8-I12 WeakPolarHBondContact O-CG1 3.29Å; P8-I12 PolarHBondContact O-N 3.35Å |
| 9 | L | 68.7 | Low | 62.5 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -42.1 | 175.1 | -76.4 | 163.7 | 0 | 0 | 0 | 111.8 | T6 W11 I12 M13 | T6-L9 PolarHBondContact O-N 2.94Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 3Å; L9-M13 VanDerWaalsContact O-CG 3.24Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 3.41Å |
| 10 | F | 68.4 | Low | 63.1 | Low | 137 Ų | 137 | 111 Ų | 111 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -38.7 | 175.4 | -174.1 | -111.9 | 0 | 0 | 0 | 111.8 | T6 L7 M13 I14 | T6-F10 WeakPolarHBondContact O-CB 3.46Å; T6-F10 PolarHBondContact O-N 2.67Å; L7-F10 PolarHBondContact O-N 3.47Å; F10-M13 PolarHBondContact O-N 3.38Å; F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CE1-CD1 3.36Å; F10-I14 HydrophobicContact CE1-CG1 4.4Å; F10-I14 HydrophobicContact CE2-CD1 4.45Å; F10-I14 HydrophobicContact CG-CD1 4.3Å; F10-I14 HydrophobicContact CZ-CD1 3.81Å; F10-I14 HydrophobicContact CZ-CG1 4.45Å; F10-I14 WeakPolarHBondContact O-CG1 3.25Å; F10-I14 PolarHBondContact O-N 2.86Å |
| 11 | W | 65 | Low | 64.2 | Low | 190 Ų | 190 | 112 Ų | 112 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 175.9 | -156.5 | -83.6 | 0 | 0 | 0 | 113 | L7 P8 L9 M13 I14 S15 | L7-W11 PolarHBondContact O-N 3.38Å; P8-W11 PolarHBondContact O-N 3.38Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.48Å; W11-M13 VanDerWaalsContact C-N 3.33Å; W11-I14 PolarHBondContact O-N 2.83Å; W11-S15 PolarHBondContact O-N 2.74Å; W11-S15 PolarHBondContact O-OG 3.39Å |
| 12 | I | 67.1 | Low | 66 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 175.1 | -68 | 162.6 | 0 | 0 | 0 | 110.3 | P8 L9 S15 A16 | P8-I12 WeakPolarHBondContact O-CD1 3.44Å; P8-I12 VanDerWaalsContact O-CG1 3.23Å; P8-I12 WeakPolarHBondContact O-CG1 3.29Å; P8-I12 PolarHBondContact O-N 3.35Å; L9-I12 PolarHBondContact O-N 3Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-A16 PolarHBondContact O-N 3.03Å; I12-A16 VanDerWaalsContact O-N 3.13Å |
| 13 | M | 61.6 | Low | 67.7 | Low | 140 Ų | 140 | 106 Ų | 106 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 177.7 | -67.8 | -73 | -76.5 | 0 | 0 | 112.6 | L9 F10 W11 S15 A16 S17 | L9-M13 VanDerWaalsContact O-CG 3.24Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 3.41Å; F10-M13 PolarHBondContact O-N 3.38Å; W11-M13 VanDerWaalsContact C-N 3.33Å; M13-S15 VanDerWaalsContact C-N 3.32Å; M13-A16 PolarHBondContact O-N 3.33Å; M13-S17 PolarHBondContact O-N 3.03Å |
| 14 | I | 61.1 | Low | 69.6 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 42% | 0.415 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 175.9 | -66 | 163.8 | 0 | 0 | 0 | 111.4 | F10 W11 A16 S17 | F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CE1-CD1 3.36Å; F10-I14 HydrophobicContact CE1-CG1 4.4Å; F10-I14 HydrophobicContact CE2-CD1 4.45Å; F10-I14 HydrophobicContact CG-CD1 4.3Å; F10-I14 HydrophobicContact CZ-CD1 3.81Å; F10-I14 HydrophobicContact CZ-CG1 4.45Å; F10-I14 WeakPolarHBondContact O-CG1 3.25Å; F10-I14 PolarHBondContact O-N 2.86Å; W11-I14 PolarHBondContact O-N 2.83Å; I14-A16 VanDerWaalsContact C-N 3.3Å; I14-A16 PolarHBondContact O-N 3.29Å; I14-S17 PolarHBondContact O-N 3.45Å; I14-S17 PolarHBondContact O-OG 2.88Å |
| 15 | S | 58.7 | Low | 71.4 | Confident | 68 Ų | 68 | 102.2 Ų | 102.2 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 179 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | W11 I12 M13 S17 | W11-S15 PolarHBondContact O-N 2.74Å; W11-S15 PolarHBondContact O-OG 3.39Å; I12-S15 PolarHBondContact O-N 2.75Å; M13-S15 VanDerWaalsContact C-N 3.32Å; S15-S17 VanDerWaalsContact C-N 3.35Å |
| 16 | A | 55.7 | Low | 73.1 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.1 | -17.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I12 M13 I14 | I12-A16 PolarHBondContact O-N 3.03Å; I12-A16 VanDerWaalsContact O-N 3.13Å; M13-A16 PolarHBondContact O-N 3.33Å; I14-A16 VanDerWaalsContact C-N 3.3Å; I14-A16 PolarHBondContact O-N 3.29Å |
| 17 | S | 56.5 | Low | 74.6 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.6 | -178.5 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | M13 I14 S15 G19 | M13-S17 PolarHBondContact O-N 3.03Å; I14-S17 PolarHBondContact O-N 3.45Å; I14-S17 PolarHBondContact O-OG 2.88Å; S15-S17 VanDerWaalsContact C-N 3.35Å; S17-G19 PolarHBondContact O-N 3.19Å |
| 18 | R | 61 | Low | 76 | Confident | 190 Ų | 190 | 102.8 Ų | 102.8 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | trans | -81.8 | 72.9 | 173.8 | -67.1 | 176.5 | 67.5 | -173.3 | 1 | 109 | ||||
| 19 | G | 62.3 | Low | 77.2 | Confident | 17 Ų | 17 | 105.2 Ų | 105.2 | 18% | 0.175 | 56% | 0.558 | C | S | . | * | trans | -54.2 | 146.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S17 H21 D48 | S17-G19 PolarHBondContact O-N 3.19Å; G19-H21 PolarHBondContact O-N 3.13Å; G19-D48 WeakPolarHBondContact CA-OD2 3.34Å | ||
| 20 | G | 73.6 | Confident | 78.6 | Confident | 9 Ų | 9 | 103.7 Ų | 103.7 | 9% | 0.093 | 55% | 0.549 | C | S | . | . | trans | -45.1 | 140.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | P47 D48 | G20-P47 WeakPolarHBondContact O-CA 3.33Å; G20-D48 PolarHBondContact N-OD2 3.11Å | ||
| 21 | H | 87.6 | Confident | 80 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 62% | 0.616 | 56% | 0.56 | S | S | * | * | trans | -104.7 | 151.2 | 172.4 | -63.9 | -55.3 | 0 | 0 | 0 | 109 | G19 G23 D45 | G19-H21 PolarHBondContact O-N 3.13Å; H21-G23 PolarHBondContact O-N 3.09Å; H21-G23 VanDerWaalsContact O-N 3.09Å; H21-D45 CarbonylContact O-C 3.25Å; H21-D45 VanDerWaalsContact O-C 3.25Å; H21-D45 VanDerWaalsContact O-O 3.13Å | ||
| 22 | W | 94.7 | Very high | 81.6 | Confident | 194 Ų | 194 | 96.5 Ų | 96.5 | 74% | 0.735 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -56.8 | 118.9 | 170.7 | -66.8 | 106.8 | 0 | 0 | 0 | 110.1 | D45 F46 P47 L50 | W22-D45 WeakPolarHBondContact CA-O 3.24Å; W22-F46 HydrophobicContact CD2-CB 4.19Å; W22-F46 HydrophobicContact CE3-CB 3.61Å; W22-F46 HydrophobicContact CH2-CB 3.95Å; W22-F46 HydrophobicContact CZ2-CB 4.48Å; W22-F46 HydrophobicContact CZ3-CB 3.47Å; W22-F46 VanDerWaalsContact CZ3-CB 3.47Å; W22-F46 HydrophobicContact CZ3-CG 4.44Å; W22-P47 VanDerWaalsContact CE2-CD 3.45Å; W22-L50 HydrophobicContact CH2-CD1 3.88Å; W22-L50 HydrophobicContact CZ2-CD1 3.53Å |
| 23 | G | 95.3 | Very high | 83.1 | Confident | 42 Ų | 42 | 99.9 Ų | 99.9 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -172.2 | 156.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H21 F44 D45 | H21-G23 PolarHBondContact O-N 3.09Å; H21-G23 VanDerWaalsContact O-N 3.09Å; G23-F44 CarbonylContact O-C 3.49Å; G23-F44 VanDerWaalsContact O-CA 3.25Å; G23-F44 WeakPolarHBondContact O-CA 3.47Å; G23-D45 PolarHBondContact N-O 3.05Å; G23-D45 VanDerWaalsContact N-O 3.13Å; G23-D45 PolarHBondContact O-N 3.07Å |
| 24 | A | 96.4 | Very high | 84.8 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R43 F44 | A24-R43 CarbonylContact C-O 3.52Å; A24-R43 VanDerWaalsContact CA-O 3.29Å; A24-R43 WeakPolarHBondContact CA-O 3.46Å; A24-F44 HydrophobicContact CB-CB 4.12Å |
| 25 | W | 97.4 | Very high | 86.6 | Confident | 160 Ų | 160 | 103 Ų | 103 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 130.7 | 169.8 | 174.6 | 86.8 | 0 | 0 | 0 | 108.6 | P41 C42 R43 | W25-P41 HydrophobicContact CH2-CB 4.49Å; W25-P41 HydrophobicContact CH2-CG 4.47Å; W25-P41 HydrophobicContact CZ3-CB 4.17Å; W25-C42 WeakPolarHBondContact O-CA 3.47Å; W25-R43 HydrophobicContact CE3-CB 4.47Å; W25-R43 PolarHBondContact N-O 3.33Å; W25-R43 PolarHBondContact O-N 3.47Å |
| 26 | M | 97.8 | Very high | 88.5 | Confident | 92 Ų | 92 | 103.8 Ų | 103.8 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | trans | -153.1 | 149.9 | 176.5 | -172.9 | 174 | 71.6 | 0 | 0 | 107 | S28 I40 W59 | M26-S28 PolarHBondContact O-N 3.49Å; M26-I40 HydrophobicContact CG-CG2 3.72Å; M26-I40 HydrophobicContact SD-CG2 3.62Å; M26-W59 HydrophobicContact SD-CH2 3.71Å; M26-W59 HydrophobicContact SD-CZ3 3.73Å | ||
| 27 | P | 97.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 105.5 Ų | 105.5 | 25% | 0.247 | 60% | 0.601 | C | S | . | * | trans | -61.3 | 138.4 | 172.6 | 26.1 | -35.9 | 0 | 0 | 0 | 110.4 | T29 P41 | P27-T29 PolarHBondContact O-N 3.03Å; P27-P41 WeakPolarHBondContact CD-O 3.29Å; P27-P41 HydrophobicContact CG-CG 3.98Å | ||
| 28 | S | 97.8 | Very high | 92.5 | Very high | 121 Ų | 121 | 104.9 Ų | 104.9 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -66.6 | -26.9 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | M26 | M26-S28 PolarHBondContact O-N 3.49Š|
| 29 | T | 97.7 | Very high | 94.2 | Very high | 119 Ų | 119 | 101 Ų | 101 | 73% | 0.73 | 60% | 0.595 | S | S | * | * | trans | -139.2 | 142.9 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | P27 | P27-T29 PolarHBondContact O-N 3.03Š| ||
| 30 | I | 97.7 | Very high | 96 | Very high | 81 Ų | 81 | 103.4 Ų | 103.4 | 42% | 0.415 | 60% | 0.603 | S | S | . | * | trans | -143.1 | 144.7 | 173.4 | -168.4 | 163.5 | 0 | 0 | 0 | 109 | V38 S39 I40 | I30-V38 HydrophobicContact CD1-CG2 3.42Å; I30-V38 VanDerWaalsContact CD1-CG2 3.42Å; I30-V38 HydrophobicContact CG1-CG2 3.74Å; I30-V38 HydrophobicContact CG2-CG2 4.49Å; I30-S39 WeakPolarHBondContact CD1-O 3.39Å; I30-I40 HydrophobicContact CD1-CB 4.47Å; I30-I40 HydrophobicContact CD1-CG1 4.16Å; I30-I40 HydrophobicContact CG2-CG1 4.41Å | ||
| 31 | S | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 105.8 Ų | 105.8 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | trans | -135.9 | 150.3 | 179.1 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 32 | A | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 102.5 Ų | 102.5 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | trans | -148.1 | 162 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | V38 | A32-V38 HydrophobicContact CB-CB 4.02Å; A32-V38 HydrophobicContact CB-CG2 4.34Å | ||
| 33 | F | 98.4 | Very high | 97.7 | Very high | 178 Ų | 178 | 101.5 Ų | 101.5 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | trans | -75.7 | 149.1 | 176.6 | -69.8 | -71 | 0 | 0 | 0 | 111.4 | G35 T36 | F33-G35 PolarHBondContact O-N 3.39Å; F33-T36 HydrophobicContact CB-CG2 3.97Å; F33-T36 PolarHBondContact N-OG1 3.13Å; F33-T36 PolarHBondContact O-N 3.38Å; F33-T36 VanDerWaalsContact O-N 3.08Å; F33-T36 PolarHBondContact O-OG1 3.03Å | ||
| 34 | E | 98.2 | Very high | 97.7 | Very high | 203 Ų | 203 | 105.2 Ų | 105.2 | 95% | 0.949 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 136.7 | 171.9 | -171 | 178.8 | -179.8 | 0 | 0 | 110.5 | T36 | E34-T36 VanDerWaalsContact C-N 3.26Å; E34-T36 PolarHBondContact O-N 3.28Å |
| 35 | G | 98.3 | Very high | 97.7 | Very high | 85 Ų | 85 | 104.5 Ų | 104.5 | 88% | 0.876 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | 1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | F33 | F33-G35 PolarHBondContact O-N 3.39Š|
| 36 | T | 98.3 | Very high | 97.5 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -108.3 | 165 | 172.9 | 70.2 | 0 | 0 | 0 | 0 | 112 | F33 E34 | F33-T36 HydrophobicContact CB-CG2 3.97Å; F33-T36 PolarHBondContact N-OG1 3.13Å; F33-T36 PolarHBondContact O-N 3.38Å; F33-T36 VanDerWaalsContact O-N 3.08Å; F33-T36 PolarHBondContact O-OG1 3.03Å; E34-T36 VanDerWaalsContact C-N 3.26Å; E34-T36 PolarHBondContact O-N 3.28Å |
| 37 | C | 97.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 95.9 Ų | 95.9 | 82% | 0.824 | 56% | 0.56 | S | S | * | * | trans | -89.6 | 162 | 174.2 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | V | 98.1 | Very high | 97 | Very high | 78 Ų | 78 | 98.7 Ų | 98.7 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | trans | -123.5 | 141.8 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 109.9 | I30 A32 I40 | I30-V38 HydrophobicContact CD1-CG2 3.42Å; I30-V38 VanDerWaalsContact CD1-CG2 3.42Å; I30-V38 HydrophobicContact CG1-CG2 3.74Å; I30-V38 HydrophobicContact CG2-CG2 4.49Å; A32-V38 HydrophobicContact CB-CB 4.02Å; A32-V38 HydrophobicContact CB-CG2 4.34Å; V38-I40 HydrophobicContact CG2-CG1 4.38Å | ||
| 39 | S | 98.1 | Very high | 96.7 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | trans | -113.7 | 109.2 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | I30 P41 | I30-S39 WeakPolarHBondContact CD1-O 3.39Å; S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.42Å | ||
| 40 | I | 98.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 99 Ų | 99 | 34% | 0.344 | 56% | 0.556 | S | S | . | * | trans | -86.3 | 110.1 | -179.3 | -54.3 | 176 | 0 | 0 | 0 | 108.2 | M26 I30 V38 C42 W59 | M26-I40 HydrophobicContact CG-CG2 3.72Å; M26-I40 HydrophobicContact SD-CG2 3.62Å; I30-I40 HydrophobicContact CD1-CB 4.47Å; I30-I40 HydrophobicContact CD1-CG1 4.16Å; I30-I40 HydrophobicContact CG2-CG1 4.41Å; V38-I40 HydrophobicContact CG2-CG1 4.38Å; I40-C42 PolarHBondContact O-N 3.37Å; I40-W59 HydrophobicContact CG2-CH2 4.18Å | ||
| 41 | P | 98 | Very high | 96 | Very high | 60 Ų | 60 | 105.3 Ų | 105.3 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | trans | -70.4 | 127.4 | 177.3 | 28.9 | -32.2 | 0 | 0 | 0 | 109.5 | W25 P27 S39 | W25-P41 HydrophobicContact CH2-CB 4.49Å; W25-P41 HydrophobicContact CH2-CG 4.47Å; W25-P41 HydrophobicContact CZ3-CB 4.17Å; P27-P41 WeakPolarHBondContact CD-O 3.29Å; P27-P41 HydrophobicContact CG-CG 3.98Å; S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.42Å | ||
| 42 | C | 97.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 102.8 Ų | 102.8 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | trans | -139 | 136.6 | -179.2 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | W25 I40 W59 | W25-C42 WeakPolarHBondContact O-CA 3.47Å; I40-C42 PolarHBondContact O-N 3.37Å; C42-W59 HydrophobicContact CB-CH2 4.15Å; C42-W59 HydrophobicContact CB-CZ2 4.18Å | ||
| 43 | R | 96.6 | Very high | 95.7 | Very high | 174 Ų | 174 | 105.1 Ų | 105.1 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.9 | 169.1 | 178.9 | 177.3 | 175.7 | 170.2 | -0.5 | 108 | A24 W25 | A24-R43 CarbonylContact C-O 3.52Å; A24-R43 VanDerWaalsContact CA-O 3.29Å; A24-R43 WeakPolarHBondContact CA-O 3.46Å; W25-R43 HydrophobicContact CE3-CB 4.47Å; W25-R43 PolarHBondContact N-O 3.33Å; W25-R43 PolarHBondContact O-N 3.47Å |
| 44 | F | 96.4 | Very high | 95.7 | Very high | 120 Ų | 120 | 101.3 Ų | 101.3 | 53% | 0.526 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.8 | 172.9 | 66.9 | -83.1 | 0 | 0 | 0 | 110.4 | G23 A24 F46 V55 | G23-F44 CarbonylContact O-C 3.49Å; G23-F44 VanDerWaalsContact O-CA 3.25Å; G23-F44 WeakPolarHBondContact O-CA 3.47Å; A24-F44 HydrophobicContact CB-CB 4.12Å; F44-F46 AromaticContact CD2-CD1 3.99Å; F44-F46 HydrophobicContact CD2-CD1 3.99Å; F44-F46 HydrophobicContact CD2-CE1 4.38Å; F44-F46 AromaticContact CE2-CD1 3.82Å; F44-F46 HydrophobicContact CE2-CD1 3.82Å; F44-F46 AromaticContact CE2-CE1 3.78Å; F44-F46 HydrophobicContact CE2-CE1 3.78Å; F44-V55 HydrophobicContact CE2-CG1 4.23Å; F44-V55 HydrophobicContact CZ-CG1 4.14Å |
| 45 | D | 95.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 95.3 Ų | 95.3 | 36% | 0.358 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.9 | -179.1 | -150.6 | -28.4 | 0 | 0 | 0 | 108.9 | H21 W22 G23 | H21-D45 CarbonylContact O-C 3.25Å; H21-D45 VanDerWaalsContact O-C 3.25Å; H21-D45 VanDerWaalsContact O-O 3.13Å; W22-D45 WeakPolarHBondContact CA-O 3.24Å; G23-D45 PolarHBondContact N-O 3.05Å; G23-D45 VanDerWaalsContact N-O 3.13Å; G23-D45 PolarHBondContact O-N 3.07Å |
| 46 | F | 94.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 99.2 Ų | 99.2 | 21% | 0.206 | 54% | 0.538 | C | S | . | . | trans | -153.7 | 160.2 | -179 | 60 | -93.8 | 0 | 0 | 0 | 110 | W22 F44 D48 L50 P52 V55 | W22-F46 HydrophobicContact CD2-CB 4.19Å; W22-F46 HydrophobicContact CE3-CB 3.61Å; W22-F46 HydrophobicContact CH2-CB 3.95Å; W22-F46 HydrophobicContact CZ2-CB 4.48Å; W22-F46 HydrophobicContact CZ3-CB 3.47Å; W22-F46 VanDerWaalsContact CZ3-CB 3.47Å; W22-F46 HydrophobicContact CZ3-CG 4.44Å; F44-F46 AromaticContact CD2-CD1 3.99Å; F44-F46 HydrophobicContact CD2-CD1 3.99Å; F44-F46 HydrophobicContact CD2-CE1 4.38Å; F44-F46 AromaticContact CE2-CD1 3.82Å; F44-F46 HydrophobicContact CE2-CD1 3.82Å; F44-F46 AromaticContact CE2-CE1 3.78Å; F44-F46 HydrophobicContact CE2-CE1 3.78Å; F46-D48 PolarHBondContact O-N 3.49Å; F46-L50 HydrophobicContact CD2-CD1 4.41Å; F46-P52 HydrophobicContact CE2-CG 4.09Å; F46-P52 HydrophobicContact CZ-CG 4.26Å; F46-V55 HydrophobicContact CZ-CG2 4.23Å | ||
| 47 | P | 93.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 98.8 Ų | 98.8 | 15% | 0.149 | 55% | 0.55 | C | S | . | . | trans | -54.9 | 122.7 | -177 | -24.9 | 33.9 | 0 | 0 | 0 | 113.9 | G20 W22 E49 L50 | G20-P47 WeakPolarHBondContact O-CA 3.33Å; W22-P47 VanDerWaalsContact CE2-CD 3.45Å; P47-E49 WeakPolarHBondContact CB-OE2 2.99Å; P47-E49 PolarHBondContact O-N 3.31Å; P47-E49 VanDerWaalsContact O-N 3.11Å; P47-L50 HydrophobicContact CB-CD1 4.32Å; P47-L50 HydrophobicContact CB-CG 4.34Å; P47-L50 HydrophobicContact CG-CD1 4.4Å; P47-L50 WeakPolarHBondContact O-CB 3.45Å; P47-L50 PolarHBondContact O-N 3.37Å; P47-L50 VanDerWaalsContact O-N 3.08Å | ||
| 48 | D | 90.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 98.1 Ų | 98.1 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -61.2 | -20.3 | -179 | -68.6 | -54.7 | 0 | 0 | 0 | 112.2 | G19 G20 F46 L50 R51 | G19-D48 WeakPolarHBondContact CA-OD2 3.34Å; G20-D48 PolarHBondContact N-OD2 3.11Å; F46-D48 PolarHBondContact O-N 3.49Å; D48-L50 PolarHBondContact O-N 2.88Å; D48-R51 WeakPolarHBondContact O-CG 3.19Å |
| 49 | E | 91 | Very high | 95.4 | Very high | 146 Ų | 146 | 102.5 Ų | 102.5 | 68% | 0.682 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -68.4 | -22.6 | 177.3 | -54.2 | 89.9 | 179.6 | 0 | 0 | 113 | P47 | P47-E49 WeakPolarHBondContact CB-OE2 2.99Å; P47-E49 PolarHBondContact O-N 3.31Å; P47-E49 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 91.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -71.1 | -33.8 | -175.4 | -66.7 | 172.9 | 0 | 0 | 0 | 113.1 | W22 F46 P47 D48 P52 | W22-L50 HydrophobicContact CH2-CD1 3.88Å; W22-L50 HydrophobicContact CZ2-CD1 3.53Å; F46-L50 HydrophobicContact CD2-CD1 4.41Å; P47-L50 HydrophobicContact CB-CD1 4.32Å; P47-L50 HydrophobicContact CB-CG 4.34Å; P47-L50 HydrophobicContact CG-CD1 4.4Å; P47-L50 WeakPolarHBondContact O-CB 3.45Å; P47-L50 PolarHBondContact O-N 3.37Å; P47-L50 VanDerWaalsContact O-N 3.08Å; D48-L50 PolarHBondContact O-N 2.88Å; L50-P52 VanDerWaalsContact C-CD 3.47Å; L50-P52 VanDerWaalsContact C-N 3.34Å; L50-P52 VanDerWaalsContact O-N 3.1Å |
| 51 | R | 89.9 | Confident | 95.2 | Very high | 215 Ų | 215 | 110.5 Ų | 110.5 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | trans | 33.7 | 55.9 | 177.9 | -54.9 | -177.9 | 61.7 | 176.7 | -1.5 | 114.6 | D48 | D48-R51 WeakPolarHBondContact O-CG 3.19Š| ||
| 52 | P | 93.6 | Very high | 95 | Very high | 63 Ų | 63 | 115.5 Ų | 115.5 | 41% | 0.409 | 59% | 0.589 | S | S | . | * | trans | -65.8 | 142.8 | -177.6 | 29.5 | -35.9 | 0 | 0 | 0 | 111 | F46 L50 V54 V55 | F46-P52 HydrophobicContact CE2-CG 4.09Å; F46-P52 HydrophobicContact CZ-CG 4.26Å; L50-P52 VanDerWaalsContact C-CD 3.47Å; L50-P52 VanDerWaalsContact C-N 3.34Å; L50-P52 VanDerWaalsContact O-N 3.1Å; P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 PolarHBondContact O-N 3.08Å; P52-V55 HydrophobicContact CG-CG2 3.83Å | ||
| 53 | A | 96.9 | Very high | 94.5 | Very high | 109 Ų | 109 | 116.1 Ų | 116.1 | 90% | 0.901 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -67.8 | -29.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 54 | V | 97.8 | Very high | 93 | Very high | 97 Ų | 97 | 115 Ų | 115 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -138.7 | 135.9 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | P52 H56 | P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 PolarHBondContact O-N 3.08Å; V54-H56 WeakPolarHBondContact CG1-NE2 3.11Å |
| 55 | V | 96.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 114.7 Ų | 114.7 | 47% | 0.473 | 61% | 0.614 | S | S | . | * | trans | -108.4 | 121.5 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | F44 F46 P52 | F44-V55 HydrophobicContact CE2-CG1 4.23Å; F44-V55 HydrophobicContact CZ-CG1 4.14Å; F46-V55 HydrophobicContact CZ-CG2 4.23Å; P52-V55 HydrophobicContact CG-CG2 3.83Å | ||
| 56 | H | 97.5 | Very high | 92.7 | Very high | 166 Ų | 166 | 117.2 Ų | 117.2 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -105.3 | 157.7 | 174.8 | -65.2 | -80.7 | 0 | 0 | 0 | 110.7 | V54 | V54-H56 WeakPolarHBondContact CG1-NE2 3.11Š| ||
| 57 | G | 96.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 65% | 0.65 | S | S | * | * | trans | -152.8 | 154.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 58 | V | 97.6 | Very high | 92.5 | Very high | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.655 | 68% | 0.68 | S | S | * | * | trans | -134 | 141.8 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | Y60 | V58-Y60 HydrophobicContact CB-CE2 4.5Å; V58-Y60 HydrophobicContact CG1-CD1 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 4.16Å; V58-Y60 HydrophobicContact CG1-CE2 4.22Å | ||
| 59 | W | 96.4 | Very high | 92.7 | Very high | 171 Ų | 171 | 128.8 Ų | 128.8 | 65% | 0.648 | 69% | 0.69 | S | S | * | * | trans | -102.4 | 128.2 | 168.9 | -78 | 91.2 | 0 | 0 | 0 | 109.6 | M26 I40 C42 | M26-W59 HydrophobicContact SD-CH2 3.71Å; M26-W59 HydrophobicContact SD-CZ3 3.73Å; I40-W59 HydrophobicContact CG2-CH2 4.18Å; C42-W59 HydrophobicContact CB-CH2 4.15Å; C42-W59 HydrophobicContact CB-CZ2 4.18Å | ||
| 60 | Y | 96.5 | Very high | 92.8 | Very high | 152 Ų | 152 | 127.6 Ų | 127.6 | 60% | 0.596 | 69% | 0.69 | S | S | * | * | trans | -103 | 148.1 | 174 | -68.6 | -69.2 | 0 | 0 | 0 | 110.9 | V58 P64 | V58-Y60 HydrophobicContact CB-CE2 4.5Å; V58-Y60 HydrophobicContact CG1-CD1 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 4.16Å; V58-Y60 HydrophobicContact CG1-CE2 4.22Å; Y60-P64 HydrophobicContact CD1-CB 3.87Å; Y60-P64 HydrophobicContact CE1-CB 3.57Å; Y60-P64 HydrophobicContact CE2-CB 4.36Å; Y60-P64 HydrophobicContact CG-CB 4.33Å | ||
| 61 | F | 96.7 | Very high | 92.9 | Very high | 191 Ų | 191 | 129.6 Ų | 129.6 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -119.8 | 120.5 | 173.4 | -178.9 | -106.3 | 0 | 0 | 0 | 109.2 | S63 | F61-S63 PolarHBondContact O-N 3.11Š|
| 62 | N | 93.2 | Very high | 93.1 | Very high | 164 Ų | 164 | 123 Ų | 123 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 67.3 | -51.2 | -178.4 | -151.8 | 42.9 | 0 | 0 | 0 | 115.6 | ||
| 63 | S | 87.2 | Confident | 93.1 | Very high | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | trans | -153.1 | 163.4 | 171.6 | 67.2 | 0 | 0 | 0 | 0 | 110.3 | F61 | F61-S63 PolarHBondContact O-N 3.11Š| ||
| 64 | P | 64.3 | Low | 92.7 | Very high | 149 Ų | 149 | 129.7 Ų | 129.7 | 97% | 0.968 | 70% | 0.701 | S | S | * | * | trans | -61.4 | 0 | 166.1 | 26.2 | -32.8 | 0 | 0 | 0 | 113.8 | Y60 | Y60-P64 HydrophobicContact CD1-CB 3.87Å; Y60-P64 HydrophobicContact CE1-CB 3.57Å; Y60-P64 HydrophobicContact CE2-CB 4.36Å; Y60-P64 HydrophobicContact CG-CB 4.33Å |
Retrieved 64 of 64 residues in 118.4 ms
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